KNApSAcK Metabolite C00003557
Metabolite
KNApSAcK Entry
| id | C00003557 |
|---|---|
| Name | Tubeimoside I |
| CAS RN | 102040-03-9 |
| Standard InChI | InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26?,28-,29-,30+,31-,32?,33-,34+,35+,38-,39-,40+,41?,42-,43?,44?,45?,46-,47+,48?,49?,50-,51-,52-,53-,54-,55-,58-,59-,60-,61+,62+,63-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 4 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB | C08987 |
|---|
CTD
| By CAS RN | C051084 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Cucurbitaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Bolbostemma paniculatum | 381652 | Cucurbitaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
CTD interaction (2)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C051084 | 581 |
BAX
BCL2L4 |
BCL2-associated X protein | [tubeimoside I co-treated with Cisplatin] results in increased expression of BAX protein |
affects cotreatment
/ increases expression |
protein |
21687949
|
| C051084 | 596 |
BCL2
Bcl-2 PPP1R50 |
B-cell CLL/lymphoma 2 | [tubeimoside I co-treated with Cisplatin] results in decreased expression of BCL2 protein |
affects cotreatment
/ decreases expression |
protein |
21687949
|